1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid

C10H16N2O4 — CID 62301232

IUPAC1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
SMILESNC(=O)CCCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O4/c11-8(13)2-1-5-12-6-7(10(15)16)3-4-9(12)14/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyNEMGWQWSJBWLAX-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.42
Rot. Bonds5

About 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid

1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 62301232) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID62301232
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
SMILESNC(=O)CCCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O4/c11-8(13)2-1-5-12-6-7(10(15)16)3-4-9(12)14/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyNEMGWQWSJBWLAX-UHFFFAOYSA-N
XLogP-0.42
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid (CID 62301232) is 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid is NC(=O)CCCN1CC(C(=O)O)CCC1=O.
What is the InChIKey of 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is NEMGWQWSJBWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c11-8(13)2-1-5-12-6-7(10(15)16)3-4-9(12)14/h7H,1-6H2,(H2,11,13)(H,15,16).
What are the key properties of 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid?
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62301232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).